%chk=000039616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039616

0 1
 O    2.880300       3.946800     -0.4889000    
 O   0.5045000       3.756400     -0.8248000    
 O  -0.4134000      -2.851500      -1.412800    
 O    6.209500      -1.949600       1.491100    
 O    4.154300      -1.274700       2.184900    
 O   -2.740500       1.103300       2.250800    
 O   -5.119600      -1.060800      -1.297300    
 O   -5.113900      0.6081000      0.9121000    
 N   0.9544000      -1.194200     -0.6999000    
 C    2.666200      0.2724000     -0.4757000    
 C    1.273800      0.1690000     -0.6658000    
 C    3.177000      -1.044700     -0.3904000    
 C    2.122000      -1.911500     -0.5227000    
 C    3.281800       1.543200     -0.4034000    
 C   0.4657000       1.318800     -0.7987000    
 C    4.593200      -1.419700     -0.1900000    
 C    2.464600       2.650400     -0.5313000    
 C    1.112300       2.540300     -0.7218000    
 C  -0.3285000      -1.765600     -0.8486000    
 C    2.182200      -3.392500     -0.4912000    
 C   -1.584100      -1.143300     -0.3863000    
 C    1.631400       4.642200     -0.6733000    
 C    4.932200      -1.545200       1.278700    
 C   -2.773600      -1.396400      -1.064400    
 C   -1.573700     -0.3052000      0.7261000    
 C   -2.760300      0.2835000       1.162800    
 C   -3.960400     -0.8077000     -0.6278000    
 C   -3.953900      3.2099999E-02  0.4860000    
 C   -2.949500      0.4958000       3.524000    
 C   -5.888700      -2.180000     -0.8614000    
 C   -5.445500       1.880100      0.3600000    
 H    4.351000       1.650300     -0.2535000    
 H  -0.5910000       1.280800      -1.024700    
 H    5.253700     -0.6598000     -0.6230000    
 H    4.822500      -2.370000     -0.6838000    
 H    3.127500      -3.759800     -8.0600001E-02
 H    2.078700      -3.803700      -1.500400    
 H    1.393000      -3.808300      0.1440000    
 H    1.456900       5.287500      0.1953000    
 H    1.707600       5.269900      -1.568500    
 H   -2.791600      -2.043700      -1.937900    
 H  -0.6685000     -0.1357000       1.303000    
 H    6.420800      -2.007500       2.447300    
 H   -3.930700      1.2400000E-02   3.564200    
 H   -2.161600     -0.2344000       3.734100    
 H   -2.913700       1.278300       4.286900    
 H   -5.315500      -3.105800     -0.9736000    
 H   -6.197800      -2.053000      0.1809000    
 H   -6.783700      -2.244800      -1.486100    
 H   -4.675000       2.618500      0.6032000    
 H   -5.567800       1.809000     -0.7254000    
 H   -6.392800       2.206800      0.7975000    


%chk=000039616-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039616

0 1
O 2.967046 3.914655 -0.839109
O 0.626795 3.696924 -1.293532
O -0.300998 -3.008143 -1.673146
O 5.682317 -0.067723 1.579167
O 4.882479 -2.129730 2.293161
O -2.663317 0.667020 2.446757
O -5.028994 -1.039726 -1.562815
O -5.106506 0.430449 0.917103
N 1.016946 -1.319785 -0.724933
C 2.751804 0.181799 -0.518878
C 1.340620 0.072631 -0.750958
C 3.275537 -1.167212 -0.369339
C 2.222506 -2.066073 -0.510280
C 3.399411 1.451906 -0.501805
C 0.523239 1.197177 -1.036134
C 4.724589 -1.514181 -0.106015
C 2.578592 2.548566 -0.748406
C 1.189992 2.422025 -1.015060
C -0.246807 -1.920974 -1.032081
C 2.228502 -3.562408 -0.389806
C -1.479909 -1.253563 -0.511838
C 1.691431 4.665912 -0.927572
C 5.085951 -1.322020 1.362692
C -2.688953 -1.447589 -1.222528
C -1.488547 -0.562287 0.726629
C -2.696487 -0.040838 1.224463
C -3.898154 -0.901811 -0.744786
C -3.904184 -0.157238 0.472979
C -3.483328 0.078589 3.533574
C -6.260054 -1.576958 -0.938593
C -5.081761 1.916964 0.964904
H 4.467907 1.555086 -0.301197
H -0.542198 1.133685 -1.255696
H 5.385402 -0.879666 -0.720901
H 4.920049 -2.568864 -0.359128
H 3.201715 -3.901538 0.000407
H 2.028267 -4.052761 -1.357524
H 1.449148 -3.916824 0.309161
H 1.456856 5.099710 0.064314
H 1.774283 5.422938 -1.721611
H -2.693139 -2.019422 -2.154588
H -0.579193 -0.436381 1.320360
H 5.863128 0.049020 2.551755
H -4.545300 0.011316 3.237030
H -3.098797 -0.925061 3.794875
H -3.362852 0.760377 4.388734
H -6.079796 -2.606738 -0.575222
H -6.596365 -0.932058 -0.110652
H -7.003412 -1.592027 -1.749592
H -4.267581 2.269397 1.621811
H -4.953756 2.319781 -0.055872
H -6.062322 2.210474 1.368621


